- InChI
- InChI=1S/C11H21NS/c1-3-4-5-6-7-8-11-12-9-10(2)13-11/h9-11H,3-8H2,1-2H3
- InChI Key
- QIBGKHRNAJELGS-UHFFFAOYSA-N
- Formula
- C11H21NS
- SMILES
- CCCCCCCC1N=CC(C)S1
- Molecular Weight1
- 199.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 257.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -56.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.34 | kJ/mol | Joback Calculated Property |
| log10WS | -4.09 | Crippen Calculated Property | |
| logPoct/wat | 3.879 | Crippen Calculated Property | |
| McVol | 177.020 | ml/mol | McGowan Calculated Property |
| Pc | 2276.24 | kPa | Joback Calculated Property |
| Inp | [1558.00; 1558.00] |
|
|
| Inp | 1558.00 | NIST | |
| Inp | 1558.00 | NIST | |
| Tboil | 562.38 | K | Joback Calculated Property |
| Tc | 772.43 | K | Joback Calculated Property |
| Tfus | 376.14 | K | Joback Calculated Property |
| Vc | 0.672 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.48; 553.80] | J/mol×K | [562.38; 772.43] |
|
| Cp,gas | 451.48 | J/mol×K | 562.38 | Joback Calculated Property |
| Cp,gas | 471.09 | J/mol×K | 597.39 | Joback Calculated Property |
| Cp,gas | 489.65 | J/mol×K | 632.40 | Joback Calculated Property |
| Cp,gas | 507.18 | J/mol×K | 667.41 | Joback Calculated Property |
| Cp,gas | 523.70 | J/mol×K | 702.42 | Joback Calculated Property |
| Cp,gas | 539.23 | J/mol×K | 737.43 | Joback Calculated Property |
| Cp,gas | 553.80 | J/mol×K | 772.43 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-heptyl-5-methyl-3-thiazoline.
Sources
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